N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H25N5O3S2 MolecularWeight: 435.5635

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C4CC4

InChI

InChI=1S/C19H25N5O3S2/c25-18(13-28-19-22-20-14-24(19)16-7-8-16)21-15-5-9-17(10-6-15)29(26,27)23-11-3-1-2-4-12-23/h5-6,9-10,14,16H,1-4,7-8,11-13H2,(H,21,25)